Gong Yu, Zhou Mingfei
Department of Chemistry, Shanghai Key Laboratory of Molecular Catalysts and Innovative Materials, Advanced Materials Laboratory, Fudan University, Shanghai 200433, P. R. China.
J Phys Chem A. 2008 Oct 9;112(40):9758-62. doi: 10.1021/jp805495d. Epub 2008 Sep 11.
The reaction of titanium monoxide molecules and O2 was studied by using matrix isolation infrared spectroscopy as well as theoretical calculations. The titanium monoxide molecule reacts with O2 to form TiO 3 spontaneously on annealing. The TiO3 molecule is characterized to be a side-on bonded peroxo titanium monoxide complex, (eta(2)-O2)TiO, which has a nonplanar Cs symmetry with a 1A' ground state. The (eta(2)-O2)TiO complex can further coordinate another dioxygen to give TiO 5, a disuperoxo titanium monoxide complex, (eta(2)-O2)(2)TiO, which possesses a 3A'' ground state and a nonplanar Cs geometry.
采用基质隔离红外光谱法以及理论计算方法研究了一氧化钛分子与O2的反应。一氧化钛分子与O2反应，在退火时自发形成TiO3。TiO3分子的特征是侧基键合的过氧一氧化钛配合物(η(2)-O2)TiO，它具有非平面Cs对称性，基态为1A'。(η(2)-O2)TiO配合物可以进一步与另一个双氧配位生成TiO5，即双过氧一氧化钛配合物(η(2)-O2)2TiO，它具有3A''基态和非平面Cs几何结构。
Zotero 插件